Information card for entry 7244627

Structure parameters

• Formula: C19 H17 N5 O
• Calculated formula: C19 H17 N5 O
• SMILES: O=c1n(cnc2[nH]nc(Nc3ccc(cc3)C)c12)Cc1ccccc1
• Title of publication: Three-component microwave-assisted synthesis of 3,5-disubstituted pyrazolo[3,4-d]pyrimidin-4-ones
• Authors of publication: Ng, Jia Hui; Tiekink, Edward R. T.; Dolzhenko, Anton V.
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 14
• Pages of publication: 8323 - 8332
• a: 11.5648 ± 0.0001 Å
• b: 6.5343 ± 0.0001 Å
• c: 21.5417 ± 0.0002 Å
• α: 90°
• β: 97.443 ± 0.001°
• γ: 90°
• Cell volume: 1614.14 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No